SCHEMBL6187429

SCHEMBL6187429

COc1ccc(S(=O)(=O)N2CCCc3cc(C)ccc32)cc1N1CCN(C)CC1

nearest known ligand 0.65

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 13/20 0.65
MAPT P10636 1/20 0.55
TP53 P04637 2/20 0.54
LMNA P02545 1/20 0.53
HTT P42858 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
KMT2A Q03164 2/20 0.52
MEN1 O00255 1/20 0.52
POLB P06746 1/20 0.50
HTR1A P08908 1/20 0.49
DRD2 P14416 1/20 0.49
HTR1D P28221 1/20 0.49
HTR1B P28222 1/20 0.49
HTR2C P28335 1/20 0.49
HTR7 P34969 1/20 0.49
ADRA1B P35368 1/20 0.49
DRD3 P35462 1/20 0.49
HTR2B P41595 1/20 0.49
HTR4 Q13639 1/20 0.49

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6186532 0.89 HTR6 (0.64) HTR6MAPTKMT2AMEN1
SCHEMBL6187575 0.87 KMT2A (0.67) HTR6LMNAKMT2AMEN1
SCHEMBL6188091 0.82 HTR6 (0.53) HTR6HTTKMT2APOLB
SCHEMBL6187548 0.80 HTR6 (0.61) HTR6KMT2AHTR1ADRD2HTR1D
SCHEMBL6186417 0.80 HTR6 (0.61) HTR6HTR1ADRD2HTR1DHTR1B
SCHEMBL6188080 0.79 HTR6 (1.00) HTR6KMT2AMEN1HTR1ADRD2
Hydrochloric Acid SCHEMBL6188197 0.79 HTR6 (0.60) HTR6HTR1ADRD2HTR1DHTR1B
SCHEMBL6186261 0.79 HTR6 (0.81) HTR6KMT2AMEN1HTR1ADRD2
SCHEMBL6191274 0.79 HTR6 (0.60) HTR6KMT2A
SCHEMBL6184853 0.78 HTR6 (0.61) HTR6HTR1ADRD2HTR1DHTR1B

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0994862-B1 SULPHONAMIDE DERIVATIVES BEING 5-HT6 RECEPTOR ANTAGONISTS AND PROCESS FOR THEIR PREPARATION SMITHKLINE BEECHAM PLC (GB) 2005-06-01 EP claimed
EP-0994862-B1 SULPHONAMIDE DERIVATIVES BEING 5-HT6 RECEPTOR ANTAGONISTS AND PROCESS FOR THEIR PREPARATION SMITHKLINE BEECHAM PLC (GB) 2005-06-01 EP disclosed
US-6316450-B1 PIPERAZINE COMPOUNDS FOR TREATING DEPRESSION AND ANXIETY SMITHKLINE BEECHAM P.L.C. (GB) 2001-11-13 US disclosed